UCSF

ZINC59416138

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.25 1.55 -58.43 0 6 -1 87 240.235 3
Hi High (pH 8-9.5) 0.35 1.48 -139.26 0 6 -2 93 239.227 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.